CID 11499964

5-(3,5-diethylimidazol-4-yl)oxybenzene-1,3-dicarbonitrile

Structural Information

Molecular Formula
C15H14N4O
SMILES
CCC1=C(N(C=N1)CC)OC2=CC(=CC(=C2)C#N)C#N
InChI
InChI=1S/C15H14N4O/c1-3-14-15(19(4-2)10-18-14)20-13-6-11(8-16)5-12(7-13)9-17/h5-7,10H,3-4H2,1-2H3
InChIKey
WMJPQWFJWDYUDG-UHFFFAOYSA-N
Compound name
5-(3,5-diethylimidazol-4-yl)oxybenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 164.1
[M+Na]+ 289.105978 174.4
[M-H]- 265.109484 166.2
[M+NH4]+ 284.150583 173.9
[M+K]+ 305.079918 169.4
[M+H-H2O]+ 249.114020 146.1
[M+HCOO]- 311.114961 175.3
[M+CH3COO]- 325.130611 225.6
[M+Na-2H]- 287.091426 163.9
[M]+ 266.11621142 157.7
[M]- 266.11730858 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.